3-nitro-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenecarbonitrile Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-nitro-benzonitrile CAS Name: 3-nitro-4-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]benzonitrile IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-(4-benzylpiperazino)ethylamino]-3-nitro-benzonitrile Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2/c21-15-18-6-7-19(20(14-18)25(26)27)22-8-9-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-7,14,22H,8-13,16H2